Geometry & MOs

Info

ID:

420115

PubChem CID:

135111237

Reduced:

SO3N10C34H46 (1)

Stoich.:

AB3C10D34E46 (1)

Weight, g/mol:

556.300933

ΔHf, kcal/mol:

2.25

Dipole, Da:

5.28

IP(EA), eV:

 -7.53(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3S,9S,12S,15R)-9-benzyl-3-methyl-2,5,11,14-tetraoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-7-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CN=C(N1)CN2C[C@@H](NC(=O)CN3C(=NC(=N3)C)[C@@H](NC(=O)C4=CSC(=N4)[C@@H](NC(=O)C2)CC(C)C)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations